4LRD
Phosphopentomutase 4H11 variant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-20 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.293, 60.492, 78.854 |
| Unit cell angles | 90.00, 98.50, 90.00 |
Refinement procedure
| Resolution | 39.020 - 1.780 |
| R-factor | 0.14169 |
| Rwork | 0.140 |
| R-free | 0.17964 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3m8z |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.028 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.810 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Number of reflections | 34906 | |
| <I/σ(I)> | 15.3 | 3.3 |
| Completeness [%] | 99.5 | 99.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.45 | 293 | 20 mg/mL protein in 1 mM manganese chloride, 25 mM Tris-HCl, pH 7.4 against a reservoir of 25% PEG3350, 50 mM ammonium sulfate, 100 mM Bis-Tris, pH 5.45, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
